N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide

C16H19Cl2N3O2S — CID 113015866

IUPACN-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H19Cl2N3O2S/c1-2-9-24(22,23)21-14-5-6-16(20-11-14)19-8-7-12-3-4-13(17)10-15(12)18/h3-6,10-11,21H,2,7-9H2,1H3,(H,19,20)
InChIKeyNXTUBHISOFXIAC-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.19
Rot. Bonds8

About N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide

N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113015866) has the molecular formula C16H19Cl2N3O2S and a molecular weight of 388.32 g/mol. Its IUPAC name is N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
PubChem CID113015866
Molecular FormulaC16H19Cl2N3O2S
Molecular Weight388.32 g/mol
Exact Mass387.06
IUPAC NameN-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H19Cl2N3O2S/c1-2-9-24(22,23)21-14-5-6-16(20-11-14)19-8-7-12-3-4-13(17)10-15(12)18/h3-6,10-11,21H,2,7-9H2,1H3,(H,19,20)
InChIKeyNXTUBHISOFXIAC-UHFFFAOYSA-N
XLogP4.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]ethanesulfonamide
CID 113031073
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butane-1-sulfonamide
CID 113013406
N-[2-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28514790
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113031057
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
CID 113015856
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
2-(2,4-dichlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106723048
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide (CID 113015866) is N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is NXTUBHISOFXIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2S/c1-2-9-24(22,23)21-14-5-6-16(20-11-14)19-8-7-12-3-4-13(17)10-15(12)18/h3-6,10-11,21H,2,7-9H2,1H3,(H,19,20).
What are the key properties of N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide?
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113015866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).